1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N,N-dimethyl-6-oxidanylidene-pyridine-3-sulfonamide

Systemtic Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N,N-dimethyl-6-oxidanylidene-pyridine-3-sulfonamide Openeye Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N,N-dimethyl-6-oxo-pyridine-3-sulfonamide CAS Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N,N-dimethyl-6-oxo-3-pyridinesulfonamide IUPAC Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide Traditional Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-keto-N,N-dimethyl-pyridine-3-sulfonamide Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C19H25N3O5S/c1-20(2)28(24,25)16-5-6-19(23)22(12-16)13-21-8-7-14-9-17(26-3)18(27-4)10-15(14)11-21/h5-6,9-10,12H,7-8,11,13H2,1-4H3/p+1